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@article{xu2026transformingmolecularsyn,
  title = {Transforming Molecular Synthesis With Large Language Models},
  year = {2026},
  author = {Li-Cheng Xu and De-Xin Zhu and Miao-Jiong Tang and Ting-Ting Liu and Yi-Ze Liu and Chun-Hui Ma and Zhe-Xu Li and Shuo-Qing Zhang and Xin Hong},
  journal = {Chemistry - A European Journal},
  volume = {32},
  number = {31},
  pages = {e71074},
  doi = {10.1002/chem.71074},
  url = {https://doi.org/10.1002/chem.71074},
}

@article{tang2026datadrivenmodelingofnndi,
  title = {Data-Driven Modeling of N,N'-Dioxide/Metal-Catalyzed Asymmetric Michael Additions},
  year = {2026},
  author = {Miao-Jiong Tang and Tinghui Zhang and Qiuhao Huang and Shuwen Li and Rui Liu and Hongye Li and Xiaofan Chen and Shunxi Dong and Xiaohua Liu and Xiaoming Feng and Xin Hong},
  journal = {Angewandte Chemie International Edition},
  volume = {65},
  number = {12},
  pages = {e18560},
  doi = {10.1002/anie.202518560},
  url = {https://doi.org/10.1002/anie.202518560},
}

@article{wang2026asymmetricdesymmetrizati,
  title = {Asymmetric Desymmetrization of para -Quinamines via (3+2) Cycloaddition With 1,3,5-Triazinanes},
  year = {2026},
  author = {Xiangyu Wang and Miao-Jiong Tang and Zun Yang and Ayao Xiong and Xin Hong and Xiaoming Feng and Xiaohua Liu},
  journal = {Chemistry - A European Journal},
  volume = {32},
  number = {36},
  pages = {e71220},
  doi = {10.1002/chem.71220},
  url = {https://doi.org/10.1002/chem.71220},
}

@article{chen2025usingmachinelearningmeth,
  title = {Using machine learning methods to predict the diabatic bond dissociation energy of non-heme iron complexes},
  year = {2025},
  author = {Zhengwei Chen and Miaojiong Tang and Xiahe Chen and Debo Ding and Jing-Kun Gao and Yuanbin She and Yun-Fang Yang},
  journal = {Organic \& Biomolecular Chemistry},
  volume = {23},
  number = {19},
  pages = {4758-4767},
  doi = {10.1039/d5ob00007f},
  url = {https://doi.org/10.1039/d5ob00007f},
}

@article{xu2025unveilingmechanisticpatt,
  title = {Unveiling mechanistic patterns of copper-catalyzed radical bond formation through linear free energy relationship},
  year = {2025},
  author = {Guo-Xiong Xu and Ji-Ren Liu and Zeng Gao and Miao-Jiong Tang and Yi-Zhou Sun and Zhong-Liang Li and Xin-Yuan Liu and Shuo-Qing Zhang and Xin Hong},
  journal = {Nature Communications},
  volume = {17},
  number = {1},
  pages = {1027},
  doi = {10.1038/s41467-025-67770-w},
  url = {https://doi.org/10.1038/s41467-025-67770-w},
}

@article{xu2025aunifiedpretraineddeeple,
  title = {A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis planning},
  year = {2025},
  author = {Li-Cheng Xu and Miao-Jiong Tang and Junyi An and Fenglei Cao and Yuan Qi},
  journal = {Nature Machine Intelligence},
  volume = {7},
  number = {9},
  pages = {1561-1571},
  doi = {10.1038/s42256-025-01098-4},
  url = {https://doi.org/10.1038/s42256-025-01098-4},
}

@article{sun2024101360tb20240812,
  title = {Data-driven prediction of physicochemical properties of organic molecules},
  year = {2024},
  author = {Yi-Zhou Sun and Miao-Jiong Tang and Shuoqing Zhang and Xin Hong},
  journal = {Chinese Science Bulletin},
  volume = {70},
  number = {4-5},
  pages = {492-507},
  doi = {10.1360/tb-2024-0812},
  url = {https://doi.org/10.1360/tb-2024-0812},
}

@article{tang2024qm9startwomilliondftcomp,
  title = {QM9star, two Million DFT-computed Equilibrium Structures for Ions and Radicals with Atomic Information},
  year = {2024},
  author = {Miao-Jiong Tang and Tian-Cheng Zhu and Shuo-Qing Zhang and Xin Hong},
  journal = {Scientific Data},
  volume = {11},
  number = {1},
  pages = {1158},
  doi = {10.1038/s41597-024-03933-6},
  url = {https://doi.org/10.1038/s41597-024-03933-6},
}

@article{tang2023exploringspectrumbasedmo,
  title = {Exploring Spectrum-based Molecular Descriptors for Reaction Performance Prediction},
  year = {2023},
  author = {Miao-Jiong Tang and Li-Cheng Xu and Shuo-Qing Zhang and Xin Hong},
  journal = {Chemistry - An Asian Journal},
  volume = {18},
  number = {7},
  pages = {e202300011},
  doi = {10.1002/asia.202300011},
  url = {https://doi.org/10.1002/asia.202300011},
}

@article{xu2021towardsdatadrivendesigno,
  title = {Towards Data-Driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning},
  year = {2021},
  author = {Li-Cheng Xu and Shuo-Qing Zhang and Xin Li and Miao-Jiong Tang and Pei-Pei Xie and Xin Hong},
  journal = {Angewandte Chemie International Edition},
  volume = {60},
  number = {42},
  pages = {22804-22811},
  doi = {10.1002/anie.202106880},
  url = {https://doi.org/10.1002/anie.202106880},
}

@article{zhang2021amolecularstereostructur,
  title = {A Molecular Stereostructure Descriptor Based On Spherical Projection},
  year = {2021},
  author = {Shuo-Qing Zhang and Xin Hong and Li-Cheng Xu and Xin Li and Miao-Jiong Tang and Luo-Tian Yuan and Jia-Yu Zheng},
  journal = {Synlett},
  volume = {32},
  number = {18},
  pages = {1837-1842},
  doi = {10.1055/s-0040-1705977},
  url = {https://doi.org/10.1055/s-0040-1705977},
}